2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol

C10H14BrNO2 — CID 82623849

IUPAC2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
SMILESCOc1cc(Br)ccc1C(O)C(C)N
InChIInChI=1S/C10H14BrNO2/c1-6(12)10(13)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,12H2,1-2H3
InChIKeyXJXNAYKUEZWPMI-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.84
Rot. Bonds3

About 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol

2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol (PubChem CID 82623849) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
PubChem CID82623849
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
SMILESCOc1cc(Br)ccc1C(O)C(C)N
InChIInChI=1S/C10H14BrNO2/c1-6(12)10(13)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,12H2,1-2H3
InChIKeyXJXNAYKUEZWPMI-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
4-amino-1-(4-bromo-2-methoxyphenyl)butane-1,2-diol
CID 171882378
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
(1R)-1-(4-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 171204790
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(1S)-1-(4-bromo-2-methoxyphenyl)-2-fluoroethanamine
CID 131036792
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
1-(4-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705506

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol (CID 82623849) is 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol is COc1cc(Br)ccc1C(O)C(C)N.
What is the InChIKey of 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol?
The InChIKey is XJXNAYKUEZWPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6(12)10(13)8-4-3-7(11)5-9(8)14-2/h3-6,10,13H,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol?
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol has a molecular weight of 260.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 82623849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).